On the quantitativeness of grain boundary chemistry using STEM EDS: A ZrO2 Σ9 model grain boundary case study.

摘要: Abstract Atomic-resolution energy dispersive X-ray spectroscopy (EDS) in scanning transmission electron microscopy (STEM) has recently been shown to be a powerful approach investigate local chemistry of nanoscale structures quantitatively. While most the studies have focused on quantification chemical composition bulk crystals, few were discussed interfaces. In this study, we theoretically explored applicability STEM EDS for grain boundaries (GBs), where channeling can dramatically changed compared with due non-periodic atomic arrangement. We find that: (1) line scan analysis across GBs or mapping analysis, which widely used interface sometimes leads misinterpretation true chemistry. (2) Tilting specimen, is effective reduce effects scattering, not always useful GBs. (3) covering whole GB structure unit, such as using box scan, provide information. Our study provides insights into characterization EDS.